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[WIP] Add retip tool suit wrapper(s) #3

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wants to merge 30 commits into from
Closed

[WIP] Add retip tool suit wrapper(s) #3

wants to merge 30 commits into from

Commits on Sep 7, 2020

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Commits on Sep 17, 2020

  1. add aplcms

    xtracko authored and martenson committed Sep 17, 2020
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  2. switch to public image

    martenson committed Sep 17, 2020
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Commits on Sep 18, 2020

  1. add xmsannotator

    xtracko authored and martenson committed Sep 18, 2020
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Commits on Sep 21, 2020

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Commits on Sep 22, 2020

  1. update versioning to iuc standard

    add missing requirement
    drop extra whitespace
    martenson committed Sep 22, 2020
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  3. Use proper versioning semantics. Add basic tests and associated files…

    …. Modify datatype to use more generic type rather than custom defined type. Use docker image from DockerHub.
    smartx-usman committed Sep 22, 2020
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  5. lint omport order

    martenson committed Sep 22, 2020
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  6. Merge pull request #7 from RECETOX/biot_up

    update biotransformer versioning to iuc standard
    martenson committed Sep 22, 2020
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Commits on Sep 23, 2020

  1. Remove the unnecesarry data tables

    Jiří Novotný committed Sep 23, 2020
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  3. Merge pull request #6 from RECETOX/xmsannotator

    [WIP] add xmsannotator
    xtracko committed Sep 23, 2020
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  4. Migrate towards HDF5 outputs

    Jiří Novotný committed Sep 23, 2020
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Commits on Sep 24, 2020

  1. Merge pull request #5 from RECETOX/aplcms

    [WIP] add apLCMS
    xtracko committed Sep 24, 2020
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  2. Change error detection policy

    Error in stderr is actually correct behavior.
    Jiří Novotný committed Sep 24, 2020
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  3. Fix requerement

    Jiří Novotný committed Sep 24, 2020
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  4. Merge pull request #9 from RECETOX/aplcms

    Adapt apLCMS to HDF5 files
    xtracko committed Sep 24, 2020
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  5. Merge pull request #10 from RECETOX/xmsannotator

    Change xmsannotator error detection policy
    xtracko committed Sep 24, 2020
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  7. Repaired broken xml tags

    trachtok committed Sep 24, 2020
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Commits on Sep 25, 2020

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  2. Merge pull request #12 from RECETOX/biot_up

    Cleaned xml wrapper and added test.
    martenson committed Sep 25, 2020
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Commits on Sep 29, 2020

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  2. Use proper versioning semantics. Add basic tests and associated files…

    …. Modify datatype to use more generic type rather than custom defined type. Use docker image from DockerHub.
    smartx-usman committed Sep 29, 2020
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  3. Fix tool version.

    smartx-usman committed Sep 29, 2020
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  5. Merge remote-tracking branch 'origin/master'

    # Conflicts:
    #	tools/biotransformer/biotransformer.xml
    #	tools/biotransformer/wrapper_biotransformer.py
    #	tools/retip/macros.xml
    #	tools/retip/retip_apply.xml
    #	tools/retip/retip_descriptors.xml
    smartx-usman committed Sep 29, 2020
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